CID 157058

Methyl 2-hydroxy-2-(1-oxo-2-propenylamino)acetate

Structural Information

Molecular Formula
C6H9NO4
SMILES
COC(=O)C(NC(=O)C=C)O
InChI
InChI=1S/C6H9NO4/c1-3-4(8)7-5(9)6(10)11-2/h3,5,9H,1H2,2H3,(H,7,8)
InChIKey
YJOJMHVTEACTIC-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-(prop-2-enoylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

159.05316 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 132.0
[M+Na]+ 182.04238 138.1
[M-H]- 158.04588 131.0
[M+NH4]+ 177.08698 151.5
[M+K]+ 198.01632 138.4
[M+H-H2O]+ 142.05042 127.0
[M+HCOO]- 204.05136 153.9
[M+CH3COO]- 218.06701 176.0
[M+Na-2H]- 180.02783 135.0
[M]+ 159.05261 132.0
[M]- 159.05371 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe